HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19081221Generated: October 27, 2026
(3RS)-1-(benzothiazol-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-3-phthalimido-1H-1,4-benzodiazepin-2-one
https://huagongshe.com/en/chemical/19081221
Identifiers & Physical Properties
| Molecular formula | C31H19FN4O3S |
|---|
| Average molar mass | 546.6 g/mol |
|---|
| SMILES | O=C1C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2F)c2ccccc2N1Cc1nc2ccccc2s1 |
|---|
| InChIKey | OLBCZRAEOJEKGR-UHFFFAOYSA-N |
|---|
| PubChem CID | 19081221 |
|---|
Chemical & Physical Properties
| XLogP | 5.5 |
|---|
| Topological polar surface area | 111 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 7 |
|---|
| Rotatable bonds | 4 |
|---|
| Heavy atoms | 40 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,030 |
|---|
